N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine

C96H66N2 — CID 163598182

IUPACN,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cc(-c5cc6ccccc6c6ccccc56)c5ccccc5c4)cc3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/2C48H33N/c1-3-14-34(15-4-1)36-18-13-19-37(30-36)35-26-28-41(29-27-35)49(40-20-5-2-6-21-40)42-31-38-16-7-10-23-44(38)48(33-42)47-32-39-17-8-9-22-43(39)45-24-11-12-25-46(45)47;1-3-17-36(18-4-1)42-23-11-12-24-43(42)47-33-46(37-19-5-2-6-20-37)48(45-26-14-13-25-44(45)47)49(40-29-27-34-15-7-9-21-38(34)31-40)41-30-28-35-16-8-10-22-39(35)32-41/h2*1-33H
InChIKeyGVHKUMVXNVWOHO-UHFFFAOYSA-N
MW1247.60 g/mol
LogP27.23
Rot. Bonds12

About N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine

N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 163598182) has the molecular formula C96H66N2 and a molecular weight of 1247.60 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID163598182
Molecular FormulaC96H66N2
Molecular Weight1247.60 g/mol
Exact Mass1246.52
IUPAC NameN,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cc(-c5cc6ccccc6c6ccccc56)c5ccccc5c4)cc3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/2C48H33N/c1-3-14-34(15-4-1)36-18-13-19-37(30-36)35-26-28-41(29-27-35)49(40-20-5-2-6-21-40)42-31-38-16-7-10-23-44(38)48(33-42)47-32-39-17-8-9-22-43(39)45-24-11-12-25-46(45)47;1-3-17-36(18-4-1)42-23-11-12-24-43(42)47-33-46(37-19-5-2-6-20-37)48(45-26-14-13-25-44(45)47)49(40-29-27-34-15-7-9-21-38(34)31-40)41-30-28-35-16-8-10-22-39(35)32-41/h2*1-33H
InChIKeyGVHKUMVXNVWOHO-UHFFFAOYSA-N
XLogP27.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.60
LogP ≤ 527.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019
N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine
CID 170141437
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 177080203
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (CID 163598182) is N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cc(-c5cc6ccccc6c6ccccc56)c5ccccc5c4)cc3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is GVHKUMVXNVWOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H33N/c1-3-14-34(15-4-1)36-18-13-19-37(30-36)35-26-28-41(29-27-35)49(40-20-5-2-6-21-40)42-31-38-16-7-10-23-44(38)48(33-42)47-32-39-17-8-9-22-43(39)45-24-11-12-25-46(45)47;1-3-17-36(18-4-1)42-23-11-12-24-43(42)47-33-46(37-19-5-2-6-20-37)48(45-26-14-13-25-44(45)47)49(40-29-27-34-15-7-9-21-38(34)31-40)41-30-28-35-16-8-10-22-39(35)32-41/h2*1-33H.
What are the key properties of N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 1247.60 g/mol, XLogP of 27.23, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 163598182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).